# generated using pymatgen
data_InGaS3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.93524823
_cell_length_b   3.93524823
_cell_length_c   18.88880900
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00000381
_symmetry_Int_Tables_number   1
_chemical_formula_structural   InGaS3
_chemical_formula_sum   'In2 Ga2 S6'
_cell_volume   253.32581814
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
loop_
 _atom_site_type_symbol
 _atom_site_label
 _atom_site_symmetry_multiplicity
 _atom_site_fract_x
 _atom_site_fract_y
 _atom_site_fract_z
 _atom_site_occupancy
  In  In0  1  0.33333300  0.66666700  0.49326500  1.0
  In  In1  1  0.66666700  0.33333300  0.13366000  1.0
  Ga  Ga2  1  0.00000000  0.00000000  0.87818000  1.0
  Ga  Ga3  1  0.66666700  0.33333300  0.69979800  1.0
  S  S4  1  0.00000000  0.00000000  0.74693800  1.0
  S  S5  1  0.66666700  0.33333300  0.25941300  1.0
  S  S6  1  0.66666700  0.33333300  0.58257700  1.0
  S  S7  1  0.00000000  0.00000000  0.43132200  1.0
  S  S8  1  0.66666700  0.33333300  0.90981700  1.0
  S  S9  1  0.00000000  0.00000000  0.07162900  1.0